(1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine

C18H20FN3S — CID 97224144

IUPAC(1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCC(C)n1ccnc1CN[C@@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H20FN3S/c1-13(2)22-10-9-20-17(22)12-21-18(16-4-3-11-23-16)14-5-7-15(19)8-6-14/h3-11,13,18,21H,12H2,1-2H3/t18-/m0/s1
InChIKeyCDCIJCSDOOYMAP-SFHVURJKSA-N
MW329.44 g/mol
LogP4.54
Rot. Bonds6

About (1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine

(1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine (PubChem CID 97224144) has the molecular formula C18H20FN3S and a molecular weight of 329.44 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine.

Molecular Properties

Compound Name(1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
PubChem CID97224144
Molecular FormulaC18H20FN3S
Molecular Weight329.44 g/mol
Exact Mass329.14
IUPAC Name(1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine
SMILESCC(C)n1ccnc1CN[C@@H](c1ccc(F)cc1)c1cccs1
InChIInChI=1S/C18H20FN3S/c1-13(2)22-10-9-20-17(22)12-21-18(16-4-3-11-23-16)14-5-7-15(19)8-6-14/h3-11,13,18,21H,12H2,1-2H3/t18-/m0/s1
InChIKeyCDCIJCSDOOYMAP-SFHVURJKSA-N
XLogP4.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-thiophen-2-ylethanamine
CID 81408360
1-(4-fluorophenyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43393729
1-(4-fluorophenyl)-N-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-thiophen-2-ylmethanamine
CID 46601298
(1S)-1-(4-fluorophenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81347675
methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate
CID 94176340
(1S)-N-[(1-ethylimidazol-2-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398756
1-phenyl-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylmethanamine
CID 62749247
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
(2S)-3-methyl-2-[(1-propan-2-ylimidazol-2-yl)methylamino]butan-1-ol
CID 75501743
(1S)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864461
(1R)-N-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 8864475
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine (CID 97224144) is (1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine.
What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine is CC(C)n1ccnc1CN[C@@H](c1ccc(F)cc1)c1cccs1.
What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
The InChIKey is CDCIJCSDOOYMAP-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20FN3S/c1-13(2)22-10-9-20-17(22)12-21-18(16-4-3-11-23-16)14-5-7-15(19)8-6-14/h3-11,13,18,21H,12H2,1-2H3/t18-/m0/s1.
What are the key properties of (1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine?
(1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine has a molecular weight of 329.44 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-fluorophenyl)-N-[(1-propan-2-ylimidazol-2-yl)methyl]-1-thiophen-2-ylmethanamine is sourced from PubChem (CID 97224144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).